methyl 1-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-oxidanylidene-ethyl]indole-3-carboxylate

Systemtic Name: methyl 1-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-oxidanylidene-ethyl]indole-3-carboxylate Openeye Name: methyl 1-[2-[4-(azepane-1-carbonyl)-1-piperidyl]-2-oxo-ethyl]indole-3-carboxylate CAS Name: 1-[2-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-2-oxoethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-oxoethyl]indole-3-carboxylate Traditional Name: 1-[2-[4-(azepane-1-carbonyl)piperidino]-2-keto-ethyl]indole-3-carboxylic acid methyl ester Formula: C24H31N3O4 MolecularWeight: 425.52064

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)N3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)N3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C24H31N3O4/c1-31-24(30)20-16-27(21-9-5-4-8-19(20)21)17-22(28)25-14-10-18(11-15-25)23(29)26-12-6-2-3-7-13-26/h4-5,8-9,16,18H,2-3,6-7,10-15,17H2,1H3